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Name | Alpha-2B adrenergic receptor |
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Species | Homo sapiens (Human) |
Gene | ADRA2B |
Synonym | alpha2-C2 alpha2B alpha2B-adrenoceptor Alpha-2BAR alpha-2B adrenoreceptor [ Show all ] |
Disease | Neuropathic pain Alcohol use disorders |
Length | 450 |
Amino acid sequence | MDHQDPYSVQATAAIAAAITFLILFTIFGNALVILAVLTSRSLRAPQNLFLVSLAAADILVATLIIPFSLANELLGYWYFRRTWCEVYLALDVLFCTSSIVHLCAISLDRYWAVSRALEYNSKRTPRRIKCIILTVWLIAAVISLPPLIYKGDQGPQPRGRPQCKLNQEAWYILASSIGSFFAPCLIMILVYLRIYLIAKRSNRRGPRAKGGPGQGESKQPRPDHGGALASAKLPALASVASAREVNGHSKSTGEKEEGETPEDTGTRALPPSWAALPNSGQGQKEGVCGASPEDEAEEEEEEEEEEEECEPQAVPVSPASACSPPLQQPQGSRVLATLRGQVLLGRGVGAIGGQWWRRRAQLTREKRFTFVLAVVIGVFVLCWFPFFFSYSLGAICPKHCKVPHGLFQFFFWIGYCNSSLNPVIYTIFNQDFRRAFRRILCRPWTQTAW |
UniProt | P18089 |
Protein Data Bank | N/A |
GPCR-HGmod model | P18089 |
3D structure model | This predicted structure model is from GPCR-EXP P18089. |
BioLiP | N/A |
Therapeutic Target Database | T41580 |
ChEMBL | CHEMBL1942 |
IUPHAR | 26 |
DrugBank | BE0000572 |
Name | 139290-69-0 |
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Molecular formula | C22H28FNO3 |
IUPAC name | (2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol |
Molecular weight | 373.468 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.9 |
Synonyms | (+/-)-alpha-(2,3-dimethoxyphenyl)-1-[2-(4-fluorophenyl)-ethyl]-4-piperidinemethanol alpha-(2,3-Dimethoxyphenyl)-1-(2-(4-fluorophenylethyl))-4-piperidine methanol CHEMBL257283 MDL 100907, (+/-)- SCHEMBL13701277 [ Show all ] |
Inchi Key | HXTGXYRHXAGCFP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3 |
PubChem CID | 60858 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50232153 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 270.6 nM | http://pdsp.med.unc.edu/pdsp.php | PDSP |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218